N2‐time‐dependent SCF scheme

Ludwik Adamowicz, E. A. McCullough

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

A new procedure for the Fock matrix operator construction is proposed. Its application for RHF calculations on diatomic molecules using Slater orbital basis sets shows that the computation time for the new SCF procedure is proportional to the square of the basis set size.

Original languageEnglish (US)
Pages (from-to)373-381
Number of pages9
JournalInternational Journal of Quantum Chemistry
Volume26
Issue number3
DOIs
StatePublished - 1984
Externally publishedYes

Fingerprint

self consistent fields
Slater orbitals
diatomic molecules
operators
Molecules
matrices

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

Cite this

N2‐time‐dependent SCF scheme. / Adamowicz, Ludwik; McCullough, E. A.

In: International Journal of Quantum Chemistry, Vol. 26, No. 3, 1984, p. 373-381.

Research output: Contribution to journalArticle

Adamowicz, Ludwik ; McCullough, E. A. / N2‐time‐dependent SCF scheme. In: International Journal of Quantum Chemistry. 1984 ; Vol. 26, No. 3. pp. 373-381.
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